2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide

C14H22N2O2 — CID 16787074

IUPAC2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccc(C(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)9-18-13-7-5-6-12(8-13)11(3)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyIZCHDWVBSFPOCH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds6

About 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide

2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide (PubChem CID 16787074) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
PubChem CID16787074
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1cccc(C(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)9-18-13-7-5-6-12(8-13)11(3)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyIZCHDWVBSFPOCH-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
2-[3-(1-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 16783350
N-butan-2-yl-2-[3-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43278475
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 63367424
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-bromophenyl)acetamide
CID 78930303
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide (CID 16787074) is 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1cccc(C(C)N)c1.
What is the InChIKey of 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide?
The InChIKey is IZCHDWVBSFPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10(2)16-14(17)9-18-13-7-5-6-12(8-13)11(3)15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide?
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 16787074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).